2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol

C14H25N3O — CID 82698967

IUPAC2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol
SMILESCCc1cc(CC)n(CCC(CO)NC2CC2)n1
InChIInChI=1S/C14H25N3O/c1-3-11-9-14(4-2)17(16-11)8-7-13(10-18)15-12-5-6-12/h9,12-13,15,18H,3-8,10H2,1-2H3
InChIKeyOMOTZEJRKYDQGO-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.51
Rot. Bonds8

About 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol

2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol (PubChem CID 82698967) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol
PubChem CID82698967
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol
SMILESCCc1cc(CC)n(CCC(CO)NC2CC2)n1
InChIInChI=1S/C14H25N3O/c1-3-11-9-14(4-2)17(16-11)8-7-13(10-18)15-12-5-6-12/h9,12-13,15,18H,3-8,10H2,1-2H3
InChIKeyOMOTZEJRKYDQGO-UHFFFAOYSA-N
XLogP1.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol (CID 82698967) is 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol is CCc1cc(CC)n(CCC(CO)NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol?
The InChIKey is OMOTZEJRKYDQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-11-9-14(4-2)17(16-11)8-7-13(10-18)15-12-5-6-12/h9,12-13,15,18H,3-8,10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol?
2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol is sourced from PubChem (CID 82698967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).